Marvin 04221011102D 53 55 0 0 1 0 999 V2000 11.1774 -21.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4629 -21.7504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4629 -22.5755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1774 -22.9880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8918 -22.5755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8918 -21.7504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5764 -20.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7484 -22.9880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6062 -22.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1774 -23.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7484 -21.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0340 -22.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3195 -22.9880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6051 -22.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0340 -21.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3195 -23.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8907 -22.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1762 -22.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6062 -23.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0921 -14.3543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3776 -14.7668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3776 -15.5918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0921 -16.0043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8065 -15.5918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8065 -14.7668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5209 -14.3543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6631 -16.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6204 -17.0534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0921 -16.8293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6631 -14.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9487 -15.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2343 -16.0043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5197 -15.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9487 -14.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2343 -16.8293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8054 -16.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0908 -15.5918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1311 -17.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4166 -18.2524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4166 -19.0775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1311 -19.4900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8454 -19.0775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8454 -18.2524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7021 -19.4900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1311 -20.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7021 -17.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9877 -19.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2732 -19.4900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5587 -19.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9877 -18.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2732 -20.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8443 -19.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1299 -19.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 3 8 1 6 0 0 0 5 9 1 1 0 0 0 4 10 1 1 0 0 0 2 11 1 1 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 2 0 0 0 0 13 16 1 1 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 9 19 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 22 27 1 6 0 0 0 24 28 1 1 0 0 0 23 29 1 1 0 0 0 21 30 1 1 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 31 34 2 0 0 0 0 32 35 1 1 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 38 43 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 28 1 6 0 0 0 40 44 1 6 0 0 0 42 7 1 1 0 0 0 41 45 1 1 0 0 0 39 46 1 1 0 0 0 44 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 47 50 2 0 0 0 0 48 51 1 1 0 0 0 49 52 1 0 0 0 0 52 53 1 0 0 0 0 M END > CHEBI:52982 > 4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-Manp2Me-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-Manp-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-Manp > An amido trisaccharide fragment which mimicks the terminus of the O-polysaccharide of Vibrio cholerae O:1, serotype Ogawa. > 3 > CHEBI:52981; CHEBI:52952; CHEBI:59264 > Vibrio Cholerae O1, serotype Ogawa trisaccharide; 4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-2-O-methyl-alpha-D-mannopyranosyl-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-mannopyranosyl-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-mannopyranose > 4,6-dideoxy-4-[(2S)-2,4-dihydroxybutanamido]-2-O-methyl-alpha-D-mannopyranosyl-(1->2)-4,6-dideoxy-4-[(2S)-2,4-dihydroxybutanamido]-alpha-D-mannopyranosyl-(1->2)-4,6-dideoxy-4-[(2S)-2,4-dihydroxybutanamido]-alpha-D-mannopyranose > C31H55N3O19 > 773.77710 > 773.34298 > 0 > CO[C@H]1[C@@H](O)[C@H](NC(=O)[C@@H](O)CCO)[C@@H](C)O[C@@H]1O[C@H]1[C@@H](O)[C@H](NC(=O)[C@@H](O)CCO)[C@@H](C)O[C@@H]1O[C@@H]1[C@@H](O)O[C@H](C)[C@@H](NC(=O)[C@@H](O)CCO)[C@@H]1O > InChI=1S/C31H55N3O19/c1-11-17(32-26(44)14(38)5-8-35)20(41)23(29(47)49-11)52-31-25(22(43)19(13(3)51-31)34-28(46)16(40)7-10-37)53-30-24(48-4)21(42)18(12(2)50-30)33-27(45)15(39)6-9-36/h11-25,29-31,35-43,47H,5-10H2,1-4H3,(H,32,44)(H,33,45)(H,34,46)/t11-,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23+,24+,25+,29+,30-,31-/m1/s1 > QLIUTTKWFPAPOF-BUMMBSEUSA-N > 16098493 $$$$